CID 3063857

N-(2,3-dimethylphenyl)-5-methyl-5-pyrazolecarboxamide

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=NNC(=C2)C)C
InChI
InChI=1S/C13H15N3O/c1-8-5-4-6-11(10(8)3)14-13(17)12-7-9(2)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKey
USSCDEBZNIYAFY-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 153.3
[M+Na]+ 252.11072 165.5
[M+NH4]+ 247.15532 160.3
[M+K]+ 268.08466 161.4
[M-H]- 228.11422 155.7
[M+Na-2H]- 250.09617 159.9
[M]+ 229.12095 155.5
[M]- 229.12205 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.